CID 12565

Precocene ii

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

CC1(C=CC2=CC(=C(C=C2O1)OC)OC)C

InChI

InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3

InChIKey

PTIDGSWTMLSGAH-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-2,2-dimethylchromene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 75
References: 4441
Patents: 220.10994 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.11722	146.4
[M+Na]+	243.09916	161.0
[M+NH4]+	238.14376	157.0
[M+K]+	259.07310	152.4
[M-H]-	219.10266	150.8
[M+Na-2H]-	241.08461	154.0
[M]+	220.10939	150.1
[M]-	220.11049	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe